N-[3-(1-methyltetrazol-5-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C21H20N6O — CID 26122569

IUPACN-[3-(1-methyltetrazol-5-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCn1nnnc1-c1cccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1
InChIInChI=1S/C21H20N6O/c1-27-20(24-25-26-27)13-5-4-6-15(11-13)22-21(28)14-9-10-19-17(12-14)16-7-2-3-8-18(16)23-19/h4-6,9-12,23H,2-3,7-8H2,1H3,(H,22,28)
InChIKeyVFIFXAUKITXZOX-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.49
Rot. Bonds3

About N-[3-(1-methyltetrazol-5-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-[3-(1-methyltetrazol-5-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 26122569) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[3-(1-methyltetrazol-5-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methyltetrazol-5-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID26122569
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC NameN-[3-(1-methyltetrazol-5-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCn1nnnc1-c1cccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1
InChIInChI=1S/C21H20N6O/c1-27-20(24-25-26-27)13-5-4-6-15(11-13)22-21(28)14-9-10-19-17(12-14)16-7-2-3-8-18(16)23-19/h4-6,9-12,23H,2-3,7-8H2,1H3,(H,22,28)
InChIKeyVFIFXAUKITXZOX-UHFFFAOYSA-N
XLogP3.49
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-[3-(1-methyltetrazol-5-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetamidophenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27258967
3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 30414116
N-(4-methyl-3-sulfamoylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 46809541
3,4-dimethoxy-N-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)benzamide
CID 2107760
N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide
CID 166220279
4-(difluoromethoxy)-3-methoxy-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 41357494
1-hydroxy-N-[3-(1-methyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide
CID 110907120
4-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-sulfamoylbenzamide
CID 41357033
N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 42932560
5,6-dichloro-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-3-carboxamide
CID 51304309
N-[3-(pyridin-2-ylmethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 33498777
N-[3-(1-methyltetrazol-5-yl)phenyl]-2H-triazole-4-carboxamide
CID 112733195

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methyltetrazol-5-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-[3-(1-methyltetrazol-5-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 26122569) is N-[3-(1-methyltetrazol-5-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-[3-(1-methyltetrazol-5-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-[3-(1-methyltetrazol-5-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is Cn1nnnc1-c1cccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1.
What is the InChIKey of N-[3-(1-methyltetrazol-5-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is VFIFXAUKITXZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-27-20(24-25-26-27)13-5-4-6-15(11-13)22-21(28)14-9-10-19-17(12-14)16-7-2-3-8-18(16)23-19/h4-6,9-12,23H,2-3,7-8H2,1H3,(H,22,28).
What are the key properties of N-[3-(1-methyltetrazol-5-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-[3-(1-methyltetrazol-5-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methyltetrazol-5-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 26122569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).